{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.427291 0.817947 ] [ 0.5 0.572709 0.182053 ] [ 0.5 0.927291 0.682053 ] [ 0.5 0.072709 0.317947 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.140633 0.799083 ] [ 0 0.859367 0.200917 ] [ 0 0.640633 0.700917 ] [ 0 0.359367 0.299083 ] [ 0.5 0.259626 0.549039 ] [ 0.5 0.740374 0.450961 ] [ 0.5 0.240374 0.049039 ] [ 0.5 0.759626 0.950961 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.42656962 "source-unit" "angstrom" } "b" { "source-value" 5.90108904 "source-unit" "angstrom" } "c" { "source-value" 9.90764415 "source-unit" "angstrom" } }